On Tue, Jul 2, 2013 at 10:51 AM, Melchor S. wrote:
> Hi Tsjerk,
>
> I read the sae that you say about the PME and the twin cutoff, but as I
> have seen that a lot of studies in that people use Gromos with PME and a
> Vander Vaals cutoff so small as mine, I didn't change it, for mantain the
> sam
Hi Melchor,
Have you looked at the structures? The GROMOS people suggest using
twin-range cut-off with reaction field correction, and the Vanderwaals
cutoff you use seems a bit small, as 1.4 nm is commonly used with GROMOS.
Maybe that makes a difference.
Cheers,
Tsjerk
On Tue, Jul 2, 2013 at 3
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